4-[4-(1-imidazol-1-yl-4-pyridin-4-yl-butan-2-yl)sulfanylphenyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[4-(1-imidazol-1-yl-4-pyridin-4-yl-butan-2-yl)sulfanylphenyl]piperazine-1-carbaldehyde Openeye Name: 4-[4-[1-(imidazol-1-ylmethyl)-3-(4-pyridyl)propyl]sulfanylphenyl]piperazine-1-carbaldehyde CAS Name: 4-[4-[[1-(1-imidazolyl)-4-pyridin-4-ylbutan-2-yl]thio]phenyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[4-(1-imidazol-1-yl-4-pyridin-4-ylbutan-2-yl)sulfanylphenyl]piperazine-1-carbaldehyde Traditional Name: 4-[4-[[1-(imidazol-1-ylmethyl)-3-(4-pyridyl)propyl]thio]phenyl]piperazine-1-carbaldehyde Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C2=CC=C(C=C2)SC(CCC3=CC=NC=C3)CN4C=CN=C4

Isomeric SMILES

C1CN(CCN1C=O)C2=CC=C(C=C2)SC(CCC3=CC=NC=C3)CN4C=CN=C4

InChI

InChI=1S/C23H27N5OS/c29-19-26-13-15-28(16-14-26)21-2-5-22(6-3-21)30-23(17-27-12-11-25-18-27)4-1-20-7-9-24-10-8-20/h2-3,5-12,18-19,23H,1,4,13-17H2